Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476795

SCHEMBL4476795

SCHEMBL4476795

Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 19/20 0.81
▸ CYP3A4 P08684 17/20 0.76
▸ CIT O14578 2/20 0.73
▸ RPS6KA5 O75582 2/20 0.73
▸ FLT3 P36888 2/20 0.73
▸ GSK3B P49841 2/20 0.73
▸ JAK3 P52333 2/20 0.73
▸ MAP3K7 O43318 1/20 0.73
▸ JAK2 O60674 1/20 0.73
▸ RPS6KA4 O75676 1/20 0.73
▸ PRKCG P05129 1/20 0.73
▸ PRKCB P05771 1/20 0.73
▸ CCNA2 P20248 1/20 0.73
▸ RPS6KB1 P23443 1/20 0.73
▸ CDK2 P24941 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ IRAK1 P51617 1/20 0.73
▸ RPS6KA3 P51812 1/20 0.73
▸ CDK5 Q00535 1/20 0.73
▸ PRKCE Q02156 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13887729 0.90 ROCK1 (1.00) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL13887800 0.89 ROCK1 (0.79) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL4474268 0.88 ROCK1 (1.00) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL13895211 0.88 ROCK1 (0.80) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL13888006 0.87 ROCK1 (0.85) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL13887798 0.86 ROCK1 (1.00) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL4484666 0.86 ROCK1 (1.00) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL4471011 0.86 ROCK1 (0.76) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL13887788 0.85 ROCK1 (0.67) ROCK1CYP3A4CITRPS6KA5FLT3
SCHEMBL13887721 0.84 ROCK1 (1.00) ROCK1CYP3A4CITRPS6KA5FLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 — — US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 — — US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 — — US disclosed
CN-101014597-A Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMA (US) 2007-08-08 — — CN disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 — — EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 — — US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 ROCK1 2/4885CYP3A4 4258/4885CIT 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.